CID 3679669

790272-25-2

Structural Information

Molecular Formula

C₁₄H₁₄ClNO

SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CCl

InChI

InChI=1S/C14H14ClNO/c1-10(16-14(17)9-15)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10H,9H2,1H3,(H,16,17)

InChIKey

MAHFOVBBNTZWJX-UHFFFAOYSA-N

Compound name

2-chloro-N-(1-naphthalen-2-ylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 247.07639 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.083666	154.1
[M+Na]+	270.065608	161.4
[M-H]-	246.069114	158.2
[M+NH4]+	265.110213	173.0
[M+K]+	286.039548	156.5
[M+H-H2O]+	230.073650	148.4
[M+HCOO]-	292.074591	171.8
[M+CH3COO]-	306.090241	195.8
[M+Na-2H]-	268.051056	159.6
[M]+	247.07584142	155.8
[M]-	247.07693858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe